3-methoxy-6-methyl-2-nitropyridine

C7H8N2O3 — CID 2727965

IUPAC3-methoxy-6-methyl-2-nitropyridine
SMILESCOc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c1-5-3-4-6(12-2)7(8-5)9(10)11/h3-4H,1-2H3
InChIKeyYEEJSIYKPVLUKN-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.31
Rot. Bonds2

About 3-methoxy-6-methyl-2-nitropyridine

3-methoxy-6-methyl-2-nitropyridine (PubChem CID 2727965) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-methoxy-6-methyl-2-nitropyridine.

Molecular Properties

Compound Name3-methoxy-6-methyl-2-nitropyridine
PubChem CID2727965
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-methoxy-6-methyl-2-nitropyridine
SMILESCOc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c1-5-3-4-6(12-2)7(8-5)9(10)11/h3-4H,1-2H3
InChIKeyYEEJSIYKPVLUKN-UHFFFAOYSA-N
XLogP1.31
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Pyridine, 3-ethoxy-2-nitro-
CID 52866
6-Methyl-2-nitropyridin-3-ol
CID 84801
6-Methyl-3-[(4-methylbenzyl)oxy]-2-nitropyridine
CID 2800220
2-[(6-Methyl-2-nitro-3-pyridinyl)oxy]-1-(2-methylpiperidin-1-yl)ethanone
CID 3507387
6-Methyl-2-nitro-3-[(4-nitrophenyl)methoxy]pyridine
CID 3920507
1-(2,6-Dimethylmorpholin-4-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 4044166
3-Methoxy-2-nitropyridine
CID 556063
N-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4817366
3-[2-(4-Methoxyphenoxy)ethoxy]-6-methyl-2-nitropyridine
CID 4817566
N-cyclohexyl-N-methyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4375246
1-(2,6-Dimethylpiperidin-1-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 4779671
6-Methyl-3-[(2-methylphenyl)methoxy]-2-nitropyridine
CID 9108965

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-2-nitropyridine?
The IUPAC name of 3-methoxy-6-methyl-2-nitropyridine (CID 2727965) is 3-methoxy-6-methyl-2-nitropyridine.
What is the SMILES notation for 3-methoxy-6-methyl-2-nitropyridine?
The canonical SMILES for 3-methoxy-6-methyl-2-nitropyridine is COc1ccc(C)nc1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-6-methyl-2-nitropyridine?
The InChIKey is YEEJSIYKPVLUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5-3-4-6(12-2)7(8-5)9(10)11/h3-4H,1-2H3.
What are the key properties of 3-methoxy-6-methyl-2-nitropyridine?
3-methoxy-6-methyl-2-nitropyridine has a molecular weight of 168.15 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-2-nitropyridine is sourced from PubChem (CID 2727965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).